The dataset is an archive of ExoMol page, https://exomol.com/data/molecules/MgO/24Mg-16O/LiTY. Please check the reference details according to the following description or directly from the website
Vibrational spectroscopy is a cornerstone technique for molecular characterization and offers an ideal target for the computational investigation of molecular materials. Building on previous comprehen
The series of folder contain the .log files from Gaussian(R) 16 of the different species and at different level of theories, as specified in the subfolders and filenames. The data refer to calculation
VizieR online Data Catalogue associated with article published in journal Monthly Notices of the Royal Astronomical Society with title ' ExoMol line lists. XXVII: spectra of C_2_H_4_.' (bibcode: 2018M
VizieR online Data Catalogue associated with article published in journal Monthly Notices of the Royal Astronomical Society with title ' ExoMol molecular line lists. XXIII: spectra of PO and PS.' (bib